1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

C39H56O3 — CID 159025923

IUPAC1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.CO.CO.CO.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24.C17H20.3CH4O/c1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;3*1-2/h7-14H,5-6H2,1-4H3;5-12H,1-4H3;3*2H,1H3
InChIKeyJUGYBCNFDJYDBJ-UHFFFAOYSA-N
MW572.87 g/mol
LogP8.59
Rot. Bonds6

About 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene

1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 159025923) has the molecular formula C39H56O3 and a molecular weight of 572.87 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID159025923
Molecular FormulaC39H56O3
Molecular Weight572.87 g/mol
Exact Mass572.42
IUPAC Name1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.CO.CO.CO.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24.C17H20.3CH4O/c1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;3*1-2/h7-14H,5-6H2,1-4H3;5-12H,1-4H3;3*2H,1H3
InChIKeyJUGYBCNFDJYDBJ-UHFFFAOYSA-N
XLogP8.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.87
LogP ≤ 58.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
1-tert-butyl-4-ethylbenzene
CID 157359507
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
ethane;propane;trimethyl-[[4-[2-(4-methylphenyl)propan-2-yl]phenyl]methyl]-λ4-sulfane
CID 155699473
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 159025923) is 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.CO.CO.CO.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is JUGYBCNFDJYDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C17H20.3CH4O/c1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;3*1-2/h7-14H,5-6H2,1-4H3;5-12H,1-4H3;3*2H,1H3.
What are the key properties of 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene?
1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 572.87 g/mol, XLogP of 8.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 159025923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).